2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide

C14H25N3O2 — CID 95455732

IUPAC2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide
SMILESCC(C)[C@H]1CN(CC(N)=O)CCC(=O)N1CC1CC1
InChIInChI=1S/C14H25N3O2/c1-10(2)12-8-16(9-13(15)18)6-5-14(19)17(12)7-11-3-4-11/h10-12H,3-9H2,1-2H3,(H2,15,18)/t12-/m1/s1
InChIKeyQPWYZPCCECPHCD-GFCCVEGCSA-N
MW267.37 g/mol
LogP0.44
Rot. Bonds5

About 2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide

2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide (PubChem CID 95455732) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide
PubChem CID95455732
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide
SMILESCC(C)[C@H]1CN(CC(N)=O)CCC(=O)N1CC1CC1
InChIInChI=1S/C14H25N3O2/c1-10(2)12-8-16(9-13(15)18)6-5-14(19)17(12)7-11-3-4-11/h10-12H,3-9H2,1-2H3,(H2,15,18)/t12-/m1/s1
InChIKeyQPWYZPCCECPHCD-GFCCVEGCSA-N
XLogP0.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide (CID 95455732) is 2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide is CC(C)[C@H]1CN(CC(N)=O)CCC(=O)N1CC1CC1.
What is the InChIKey of 2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide?
The InChIKey is QPWYZPCCECPHCD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)12-8-16(9-13(15)18)6-5-14(19)17(12)7-11-3-4-11/h10-12H,3-9H2,1-2H3,(H2,15,18)/t12-/m1/s1.
What are the key properties of 2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide?
2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide has a molecular weight of 267.37 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 95455732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).